methyl 4-(3,4-dimethylphenyl)-4-oxidanylidene-but-2-ynoate

Systemtic Name: methyl 4-(3,4-dimethylphenyl)-4-oxidanylidene-but-2-ynoate Openeye Name: methyl 4-(3,4-dimethylphenyl)-4-oxo-but-2-ynoate CAS Name: 4-(3,4-dimethylphenyl)-4-oxo-2-butynoic acid methyl ester IUPAC Name: methyl 4-(3,4-dimethylphenyl)-4-oxobut-2-ynoate Traditional Name: 4-(3,4-dimethylphenyl)-4-keto-but-2-ynoic acid methyl ester Formula: C13H12O3 MolecularWeight: 216.23258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C#CC(=O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C#CC(=O)OC)C

InChI

InChI=1S/C13H12O3/c1-9-4-5-11(8-10(9)2)12(14)6-7-13(15)16-3/h4-5,8H,1-3H3